- InChI
- InChI=1S/C5H3BrO3/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)
- InChI Key
- YVTQHZDUDUCGRD-UHFFFAOYSA-N
- Formula
- C5H3BrO3
- SMILES
- O=C(O)c1ccc(Br)o1
- Molecular Weight1
- 190.98
- CAS
- 585-70-6
- Other Names
-
- 5-Bromo-2-furoic acid
- 5-Bromo furan-2-carboxylic acid
- 2-Furancarboxylic acid, 5-bromo-
- 2-Furoic acid, 5-bromo-
- 5-bromo-2-furanecarboxylic acid
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6744 | Relay (1.0) Calculated Property | |
| ΔfG° | -358.71 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -402.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 85.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.740 | Crippen Calculated Property | |
| McVol | 92.660 | ml/mol | McGowan Calculated Property |
| Pc | 5027.31 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 538.64 | K | Relay (1.0) Calculated Property |
| Tc | 777.46 | K | Relay (1.0) Calculated Property |
| Tfus | 455.19 | K | Relay (1.0) Calculated Property |
| Vc | 0.340 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 5-Bromofuroic acid.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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